{"id":26824,"npaid":"NPA026824","original_name":"Xylarichalasin A","mol_formula":"C30H35Cl2NO6","mol_weight":"576.5170","exact_mass":"575.1841","inchikey":"WKTGXOLKQXRFPA-GYWASYMOSA-N","smiles":"CC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)[C@H](Cl)[C@H]2C[C@H](C)[C@H]3CC4=CC=CC=C4C(Cl)=C4NC(=O)[C@]21[C@H]43","cluster_id":8120,"node_id":5515,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H35Cl2NO6/c1-12-9-20-23(31)19-10-13(2)30(38,14(3)34)26(36)21(19)27(39-15(4)35)29(20)22-18(12)11-16-7-5-6-8-17(16)24(32)25(22)33-28(29)37/h5-8,12-13,18-23,26-27,36,38H,9-11H2,1-4H3,(H,33,37)/t12-,13-,18+,19+,20+,21-,22-,23-,26+,27+,29-,30+/m0/s1","m_plus_h":"576.1914","m_plus_na":"598.1733","origin_reference":{"doi":"10.1021/acs.orglett.9b02552","pmid":31403306,"authors":"Wang, Wen-Xuan; Lei, Xinxiang; Yang, Yan-Ling; Li, Zheng-Hui; Ai, Hong-Lian; Li, Jing; Feng, Tao; Liu, Ji-Kai","title":"Xylarichalasin A, a Halogenated Hexacyclic Cytochalasan from the Fungus Xylaria cf. curta","journal":"Organic Letters","year":2019,"volume":"21","issue":"17","pages":"6957-6960"},"origin_organism":{"id":9376,"type":"Fungus","genus":"Xylaria","species":"cf. curta","taxon":{"id":1016,"name":"Xylaria","rank":"genus","taxon_db":"mycobank","external_id":"5832","ncbi_id":37991,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989},{"id":1005,"name":"Xylariaceae","rank":"family","taxon_db":"mycobank","external_id":"81528","ncbi_id":37990}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.orglett.9b02552","structure_smiles":"CC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)[C@H](Cl)[C@H]2C[C@H](C)[C@H]3CC4=CC=CC=C4C(Cl)=C4NC(=O)[C@]21[C@H]43","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020273"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000130","name":"Azaspirodecane derivatives","chemont_id":"CHEMONTID:0000130","description":"Organic compounds containing a spirodecane moiety with at least one nitrogen atom."},"smiles":"C[C@H]1C[C@@H]2[C@@H](Cl)[C@@H]3C[C@H](C)[C@](O)([C@H](O)[C@H]3[C@@H](OC(C)=O)[C@@]22[C@H]3[C@@H]1CC1=CC=CC=C1C(Cl)=C3NC2=O)C(C)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=WKTGXOLKQXRFPA-GYWASYMOSA-N","subclass":null,"ancestors":["1,2-diols","Alcohols and polyols","Alkyl chlorides","Alkyl halides","Alpha-hydroxy ketones","Azacyclic compounds","Azaspirodecane derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Cyclic alcohols and derivatives","Haloalkenes","Hydrocarbon derivatives","Isoindoles and derivatives","Isoindolines","Isoindolones","Ketones","Lactams","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Pyrrolidine-2-ones","Pyrrolidines","Pyrrolidones","Secondary alcohols","Secondary carboxylic acid amides","Tertiary alcohols","Vinyl chlorides","Vinyl halides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as azaspirodecane derivatives. 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